6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

C12H14FN5O — CID 80754761

IUPAC6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(C)cc2F)n1
InChIInChI=1S/C12H14FN5O/c1-3-19-12-17-10(14)16-11(18-12)15-9-5-4-7(2)6-8(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyVBGDDLCUXHJRNE-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.04
Rot. Bonds4

About 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80754761) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80754761
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(C)cc2F)n1
InChIInChI=1S/C12H14FN5O/c1-3-19-12-17-10(14)16-11(18-12)15-9-5-4-7(2)6-8(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyVBGDDLCUXHJRNE-UHFFFAOYSA-N
XLogP2.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 80754761) is 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2ccc(C)cc2F)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VBGDDLCUXHJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-3-19-12-17-10(14)16-11(18-12)15-9-5-4-7(2)6-8(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).